SCHEMBL3196562

SCHEMBL3196562

O=C(S)c1cc(-c2ccccc2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 8/20 0.72
▸ MCL1 Q07820 5/20 0.72
▸ HNF4A P41235 2/20 0.72
▸ DHFR P00374 1/20 0.72
▸ GSTA1 P08263 1/20 0.66
▸ ALOX5 P09917 1/20 0.55
▸ LCK P06239 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23143193 0.84 ACMSD (1.00) ACMSDMCL1HNF4ADHFRGSTA1
SCHEMBL330602 0.84 ACMSD (1.00) ACMSDMCL1HNF4ADHFRGSTA1
SCHEMBL29759663 0.84 ACMSD (1.00) ACMSDMCL1HNF4ADHFRGSTA1
SCHEMBL9273036 0.84 ACMSD (1.00) ACMSDMCL1HNF4ADHFRGSTA1
SCHEMBL9652822 0.82 ACMSD (0.96) ACMSDMCL1HNF4ADHFRGSTA1
SCHEMBL2070297 0.81 MCL1 (0.72) ACMSDMCL1HNF4ADHFRGSTA1
SCHEMBL5308985 0.81 ACMSD (0.72) ACMSDMCL1HNF4ADHFRGSTA1
Zinc Ion SCHEMBL9652815 0.79 ACMSD (0.70) ACMSDMCL1HNF4ADHFRGSTA1
SCHEMBL8054721 0.79 GSTA1 (0.74) ACMSDMCL1HNF4ADHFRGSTA1
SCHEMBL10621564 0.79 GSTA1 (0.74) ACMSDMCL1HNF4ADHFRGSTA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1872846-B Method of preparing 2-benzothiazepines derivative UBE INDUSTRIES 2010-06-16 — — CN disclosed
US-7671195-B2 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2010-03-02 — — US disclosed
CN-100577653-C Process for preparing dibenzothiazepine  derivatives UBE INDUSTRIES 2010-01-06 — — CN disclosed
CN-101389615-A Process for preparing dibenzothiazepine  compounds ASTRAZENECA UK LTD UBE IND (GB) 2009-03-18 — — CN disclosed
EP-1996568-A2 PROCESS FOR PREPARING DIBENZOTHIAZEPINE COMPOUNDS AstraZeneca UK Limited (GB) 2008-12-03 — — EP disclosed
US-7314930-B2 Process for preparing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2008-01-01 — — US disclosed
WO-2007102352-A2 PROCESS FOR PREPARING DIBENZOTHIAZEPINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2007-09-13 — — WO disclosed
US-20070203336-A1 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2007-08-30 — — US disclosed
CN-1872846-A Method of preparing 2-benzothiazepines derivative UBE INDUSTRIES (JP) 2006-12-06 — — CN disclosed
US-20060173178-A1 Process for preparing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-08-03 — — US disclosed
CN-1810792-A Process for preparing dibenzothiazepine * derivatives UBE INDUSTRIES (JP) 2006-08-02 — — CN disclosed
US-7045621-B1 Process for producing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-05-16 — — US disclosed
CN-1247556-C Process for preparing dibenzothiazepine * derivatives UBE INDUSTRIES (JP) 2006-03-29 — — CN disclosed
CN-1367782-A Process for preparing dibenzothiazepine * derivatives UBE INDUSTRIES (JP) 2002-09-04 — — CN disclosed
EP-1201663-A1 PROCESS FOR PRODUCING DIBENZOTHIAZEPINE DERIVATIVES Ube Industries, Ltd. (JP) 2002-05-02 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060173178-A1 Process for preparing dibenzothiazepine derivatives TPMT, BBOX1, NISCH ACMSD 128/4885MCL1 1327/4885HNF4A 2148/4885
US-20070203336-A1 Process for preparing dibenzothiazepine compounds TST, ADH1C, ADH5 ACMSD 4/4885MCL1 2602/4885HNF4A 2669/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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